Structure of PDB 3wnl Chain A Binding Site BS01

Receptor Information
>3wnl Chain A (length=701) Species: 1397 (Niallia circulans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SGGIERVFTDKARYNPGDAVSIRVQAKNGTGSSWSGAARLEIFHLENSVY
TSSQSLSLTNGQSTTLTFTWTAPSTDFRGYFVRIDAGTLGQGATAIDVSS
DFTKYPRYGYISEFESGETALESKAKVDQLAQDYHINAWQFYDWMWRHDK
MIKRTGGSIDSTWLDLFNREISWSTLQNQIDAVHDVNGKAMAYAMIYASR
ENYSPLGISPTWGIYEDSSHTNQFDVDFGDGSTYLYMFDPQNPNWQNYIH
AEYIDSINTAGFDGIHVAQMGQRSNVYDYNGNSIDLSTRFSPFLDQAKSV
LSANNPARDNLTYNIVDGTVNGWAVNDVSKNADLDFLYSEIWYLSDSYNQ
LKNYIEQLRANGGNKAVVLAAYMNYADNAGTRYEAESASMTNVSTNTNHA
GYTGSGFVDQFASTGDKVSFAINAPEAGDYSLVFRYGNNTGANSTLNLYV
DGNFVQKLYFFNQSSWGTWKHDAWYQVPLTQGAHTVELRYESGNVGAVNL
DSLTLGTFDEHSVRLADAMMSASGATHIELGDDNQMLPHEYYPNRSKTMR
SSLKNAMKDHYNFITAYENLLFDSDVVPNDTGSQFVNLTGVSASGDGSAN
TVWYINKRTSDYNIVHLINLLGNDNQWRNTASQPSFQTNLPAKIYIGADE
TISDVYLASPDLSGGETQELAFTSGTDAGGKYVSFTVPELKYWNMIYMLE
H
Ligand information
Ligand IDBGC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain3wnl Chain B Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3wnl Structural elucidation of the cyclization mechanism of alpha-1,6-glucan by Bacillus circulans T-3040 cycloisomaltooligosaccharide glucanotransferase.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		Y182 Y233 Q309 N354 E380 E580
Binding residue
(residue number reindexed from 1)		Y142 Y193 Q269 N314 E340 E540
Annotation score4
Enzymatic activity
Enzyme Commision number 2.4.1.248: cycloisomaltooligosaccharide glucanotransferase.
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding

View graph for
Molecular Function
External links
PDB RCSB:3wnl, PDBe:3wnl, PDBj:3wnl
PDBsum3wnl
PubMed24616103
UniProtP94286|CTA1_NIACI Cycloisomaltooligosaccharide glucanotransferase

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